ChemSpider 2D Image | (4aR,7aS)-1-Ethyl-4-{[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methyl}octahydrothieno[3,4-b]pyrazine 6,6-dioxide | C16H26N4O2S2

(4aR,7aS)-1-Ethyl-4-{[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methyl}octahydrothieno[3,4-b]pyrazine 6,6-dioxide

  • Molecular FormulaC16H26N4O2S2
  • Average mass370.533 Da
  • Monoisotopic mass370.149719 Da
  • ChemSpider ID29523430

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4aR,7aS)-1-Ethyl-4-{[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methyl}octahydrothieno[3,4-b]pyrazin-6,6-dioxid [German] [ACD/IUPAC Name]
(4aR,7aS)-1-Ethyl-4-{[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methyl}octahydrothieno[3,4-b]pyrazine 6,6-dioxide [ACD/IUPAC Name]
6,6-Dioxyde de (4aR,7aS)-1-éthyl-4-{[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]méthyl}octahydrothiéno[3,4-b]pyrazine [French] [ACD/IUPAC Name]
Thieno[3,4-b]pyrazine, 1-ethyloctahydro-4-[[2-(1-pyrrolidinyl)-5-thiazolyl]methyl]-, 6,6-dioxide, (4aR,7aS)- [ACD/Index Name]
(4aR*,7aS*)-1-ethyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 571.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.4±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 97.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.60
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.91
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 38.41
Polar Surface Area: 93 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 282.5±3.0 cm3

Click to predict properties on the Chemicalize site


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